5-bromanyl-3-[(4-dimethylaminophenyl)-[(4-methylphenyl)amino]methyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-bromanyl-3-[(4-dimethylaminophenyl)-[(4-methylphenyl)amino]methyl]-2-oxidanyl-benzoic acid Openeye Name: 5-bromo-3-[(4-dimethylaminophenyl)-(4-methylanilino)methyl]-2-hydroxy-benzoic acid CAS Name: 5-bromo-3-[(4-dimethylaminophenyl)-(4-methylanilino)methyl]-2-hydroxybenzoic acid IUPAC Name: 5-bromo-3-[(4-dimethylaminophenyl)-(4-methylanilino)methyl]-2-hydroxybenzoic acid Traditional Name: 5-bromo-3-[(4-dimethylaminophenyl)-(p-toluidino)methyl]-2-hydroxy-benzoic acid Formula: C23H23BrN2O3 MolecularWeight: 455.34432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(C2=CC=C(C=C2)N(C)C)C3=C(C(=CC(=C3)Br)C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(C2=CC=C(C=C2)N(C)C)C3=C(C(=CC(=C3)Br)C(=O)O)O

InChI

InChI=1S/C23H23BrN2O3/c1-14-4-8-17(9-5-14)25-21(15-6-10-18(11-7-15)26(2)3)19-12-16(24)13-20(22(19)27)23(28)29/h4-13,21,25,27H,1-3H3,(H,28,29)